Glycoside
...
GD019342

Name:
2-{[7-hydroxy-1-(3-hydroxy-6-methylheptan-2-yl)-9a,11a-dimethyl-9-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-hexadecahydro-1H-cyclopenta[a]phenanthren-2-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol

Formula:
C39H68O13

Smiles:
CC(C)CC[C@H](O)[C@H](C)[C@@H]1[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)C[C@@H]2[C@@H]3CC[C@@H]4C[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)CC2C3CCC4CC(O)CC(O)C4(C)C3CCC21C

Sugarmoiety:
CC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 13 RingCount: 6
HBD: 9 FractionCSP3: 1.0
AlogP: 1.06 Num_rotatable_bonds: 10
MolWt: 744.96 Num_heavy_atoms: 52
TPSA: 218.99 NumAromaticRings: 0

Unique Aglycone
AD13516
Formula: C27H48O4

Smiles:
CC(C)CCC(O)C(C)C1C(O)CC2C3CCC4CC(O)CC(O)C4(C)C3CCC21C
HBA: 4 RingCount: 4
HBD: 4 FractionCSP3: 1.0
AlogP: 4.38 Num_rotatable_bonds: 5
MolWt: 436.68 Num_heavy_atoms: 31
TPSA: 80.92 NumAromaticRings: 0

Sugarmoiety
SD00170

CC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O