Glycoside
...
GD033346

Name:
None

Formula:
C128H188O32N28

Smiles:
C[C@@H]1O[C@H](OCc2cn(CCCCCC(=O)N(O)Cc3cn(CCCOc4c5cc(C(C)(C)C)cc4Cc4cc(C(C)(C)C)cc(c4OCCCn4cc(CN(O)C(=O)CCCCCn6cc(CO[C@@H]7O[C@H](C)[C@H](O)[C@H](O)[C@H]7O)nn6)nn4)Cc4cc(C(C)(C)C)cc(c4OCCCn4cc(CN(O)C(=O)CCCCCn6cc(CO[C@@H]7O[C@H](C)[C@H](O)[C@H](O)[C@H]7O)nn6)nn4)Cc4cc(C(C)(C)C)cc(c4OCCCn4cc(CN(O)C(=O)CCCCCn6cc(CO[C@@H]7O[C@H](C)[C@H](O)[C@H](O)[C@H]7O)nn6)nn4)C5)nn3)nn2)[C@H](O)[C@H](O)[C@H]1O

Aglycone:
CC(C)(C)c1cc2c(OCCCn3cc(CN(O)C(=O)CCCCCn4cc(CO)nn4)nn3)c(c1)Cc1cc(C(C)(C)C)cc(c1OCCCn1cc(CN(O)C(=O)CCCCCn3cc(CO)nn3)nn1)Cc1cc(C(C)(C)C)cc(c1OCCCn1cc(CN(O)C(=O)CCCCCn3cc(CO)nn3)nn1)Cc1cc(C(C)(C)C)cc(c1OCCCn1cc(CN(O)C(=O)CCCCCn3cc(CO)nn3)nn1)C2

Sugarmoiety:
CC1OC(O)C(O)C(O)C1O.CC1OC(O)C(O)C(O)C1O.CC1OC(O)C(O)C(O)C1O.CC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 60 RingCount: 17
HBD: 16 FractionCSP3: 0.66
AlogP: 7.45 Num_rotatable_bonds: 64
MolWt: 2631.08 Num_heavy_atoms: 188
TPSA: 761.36 NumAromaticRings: 12

Unique Aglycone
AD21293
Formula: C104H148O16N28

Smiles:
CC(C)(C)c1cc2c(OCCCn3cc(CN(O)C(=O)CCCCCn4cc(CO)nn4)nn3)c(c1)Cc1cc(C(C)(C)C)cc(c1OCCCn1cc(CN(O)C(=O)CCCCCn3cc(CO)nn3)nn1)Cc1cc(C(C)(C)C)cc(c1OCCCn1cc(CN(O)C(=O)CCCCCn3cc(CO)nn3)nn1)Cc1cc(C(C)(C)C)cc(c1OCCCn1cc(CN(O)C(=O)CCCCCn3cc(CO)nn3)nn1)C2
HBA: 44 RingCount: 13
HBD: 8 FractionCSP3: 0.58
AlogP: 12.04 Num_rotatable_bonds: 56
MolWt: 2046.51 Num_heavy_atoms: 148
TPSA: 525.68 NumAromaticRings: 12

Sugarmoiety
SD01587

CC1OC(O)C(O)C(O)C1O.CC1OC(O)C(O)C(O)C1O.CC1OC(O)C(O)C(O)C1O.CC1OC(O)C(O)C(O)C1O