Glycoside
...
GD003112

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

Formula:
C37H60O16

Smiles:
C[C@@]12CCC[C@@H]1C1=C(CC2)[C@]2(C)CC[C@H](O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H](O)[C@H](O)[C@H]3O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)CC2CC1

Aglycone:
CC12CCCC1C1=C(CC2)C2(C)CCC(O)CC2CC1

Sugarmoiety:
OCC1OC(OCC2OC(O)C(OC3OC(CO)C(O)C(O)C3O)C(O)C2O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 16 RingCount: 7
HBD: 10 FractionCSP3: 0.95
AlogP: -1.68 Num_rotatable_bonds: 9
MolWt: 760.87 Num_heavy_atoms: 53
TPSA: 257.68 NumAromaticRings: 0

Unique Aglycone
AD02863
Formula: C19H30O

Smiles:
CC12CCCC1C1=C(CC2)C2(C)CCC(O)CC2CC1
HBA: 1 RingCount: 4
HBD: 1 FractionCSP3: 0.89
AlogP: 4.84 Num_rotatable_bonds: 0
MolWt: 274.45 Num_heavy_atoms: 20
TPSA: 20.23 NumAromaticRings: 0

Sugarmoiety
SD00602

OCC1OC(OCC2OC(O)C(OC3OC(CO)C(O)C(O)C3O)C(O)C2O)C(O)C(O)C1O