Glycoside
...
GD028324

Name:
2-[(2-{[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}-7-hydroxy-1-(3-hydroxy-6-methylheptan-2-yl)-9a,11a-dimethyl-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-9-yl)oxy]-6-(hydroxymethyl)oxane-3,4,5-triol

Formula:
C38H64O13

Smiles:
CC(C)CC[C@H](O)[C@H](C)[C@@H]1[C@H](O[C@@H]2OC[C@](O)(CO)[C@H]2O)C[C@@H]2[C@@H]3CC=C4C[C@H](O)C[C@H](O[C@@H]5O[C@H](CO)[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:
OCC1(O)COC(O)C1O.OCC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 13 RingCount: 6
HBD: 9 FractionCSP3: 0.95
AlogP: 0.59 Num_rotatable_bonds: 11
MolWt: 728.92 Num_heavy_atoms: 51
TPSA: 218.99 NumAromaticRings: 0

Unique Aglycone
AD06943
Formula: C27H46O4

Smiles:
CC(C)CCC(O)C(C)C1C(O)CC2C3CC=C4CC(O)CC(O)C4(C)C3CCC21C
HBA: 4 RingCount: 4
HBD: 4 FractionCSP3: 0.93
AlogP: 4.3 Num_rotatable_bonds: 5
MolWt: 434.66 Num_heavy_atoms: 31
TPSA: 80.92 NumAromaticRings: 0

Sugarmoiety
SD01212

OCC1(O)COC(O)C1O.OCC1OC(O)C(O)C(O)C1O