Glycoside
...
GD014531

Name:
2-{[7-hydroxy-1-(3-hydroxy-6-methylhept-5-en-2-yl)-9a,11a-dimethyl-2-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-9-yl]oxy}-6-methyloxane-3,4,5-triol

Formula:
C39H64O12

Smiles:
CC(C)=CC[C@H](O)[C@H](C)[C@@H]1[C@H](O[C@@H]2O[C@H](C)[C@H](O)[C@H](O)[C@H]2O)C[C@@H]2[C@@H]3CC=C4C[C@H](O)C[C@H](O[C@@H]5O[C@H](C)[C@H](O)[C@H](O)[C@H]5O)[C@@]4(C)[C@H]3CC[C@@]12C

Aglycone:
CC(C)=CCC(O)C(C)C1C(O)CC2C3CC=C4CC(O)CC(O)C4(C)C3CCC21C

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

Other Identifiers

Properties
HBA: 12 RingCount: 6
HBD: 8 FractionCSP3: 0.9
AlogP: 1.92 Num_rotatable_bonds: 8
MolWt: 724.93 Num_heavy_atoms: 51
TPSA: 198.76 NumAromaticRings: 0

Unique Aglycone
AD10669
Formula: C27H44O4

Smiles:
CC(C)=CCC(O)C(C)C1C(O)CC2C3CC=C4CC(O)CC(O)C4(C)C3CCC21C
HBA: 4 RingCount: 4
HBD: 4 FractionCSP3: 0.85
AlogP: 4.22 Num_rotatable_bonds: 4
MolWt: 432.65 Num_heavy_atoms: 31
TPSA: 80.92 NumAromaticRings: 0

Sugarmoiety
SD00256

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