Glycoside
...
GD023006

Name:
2-[(4,5-dihydroxy-2-{[11-hydroxy-3a,3b,6,6,9a-pentamethyl-1-(2,5,6-trihydroxy-6-methylhept-3-en-2-yl)-hexadecahydro-1H-cyclopenta[a]phenanthren-7-yl]oxy}-6-(hydroxymethyl)oxan-3-yl)oxy]-6-(hydroxymethyl)oxane-3,4,5-triol

Formula:
C42H72O15

Smiles:
CC1(C)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)CC[C@]2(C)[C@@H]1CC[C@]1(C)[C@@H]2C[C@@H](O)[C@H]2[C@H]([C@](C)(O)C=C[C@@H](O)C(C)(C)O)CC[C@]21C

Aglycone:
CC(C)(O)C(O)C=CC(C)(O)C1CCC2(C)C1C(O)CC1C3(C)CCC(O)C(C)(C)C3CCC12C

Sugarmoiety:
OCC1OC(OC2C(O)OC(CO)C(O)C2O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 15 RingCount: 6
HBD: 11 FractionCSP3: 0.95
AlogP: 0.09 Num_rotatable_bonds: 10
MolWt: 817.02 Num_heavy_atoms: 57
TPSA: 259.45 NumAromaticRings: 0

Unique Aglycone
AD15521
Formula: C30H52O5

Smiles:
CC(C)(O)C(O)C=CC(C)(O)C1CCC2(C)C1C(O)CC1C3(C)CCC(O)C(C)(C)C3CCC12C
HBA: 5 RingCount: 4
HBD: 5 FractionCSP3: 0.93
AlogP: 4.44 Num_rotatable_bonds: 4
MolWt: 492.74 Num_heavy_atoms: 35
TPSA: 101.15 NumAromaticRings: 0

Sugarmoiety
SD00114

OCC1OC(OC2C(O)OC(CO)C(O)C2O)C(O)C(O)C1O